4-Aminobenzo-15-crown-5 hydrochloride

C₁₄H₂₂ClNO₅CAS 111076-66-5319.78 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₄H₂₂ClNO₅
Molar mass: 319.78 g/mol
Exact mass: 319.1187 Da
logP: 1.51Crippen estimate
Polar surface area: 72.2 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 0

Identifiers

CAS number

111076-66-5

SMILES

C1COCCOC2=C(C=C(C=C2)N)OCCOCCO1.Cl

InChIKey

HZNFLCQAHYOUST-UHFFFAOYSA-N

InChI

InChI=1S/C14H21NO5.ClH/c15-12-1-2-13-14(11-12)20-10-8-18-6-4-16-3-5-17-7-9-19-13;/h1-2,11H,3-10,15H2;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Aminobenzo-15-crown-5 hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Benzodioxan-6-amine22013-33-878 % similar Benzodioxol-5-amine14268-66-760 % similar 1,3-Bis(2,4-diaminophenoxy)propane tetrahydrochloride74918-21-157 % similar 2,4-Diaminophenoxyethanol dihydrochloride66422-95-553 % similar 1,3-Bis(2,4-diaminophenoxy)propane81892-72-049 % similar Benzo-18-crown-614098-24-947 % similar Benzo-15-crown-514098-44-347 % similar Dibenzo-24-crown-814174-09-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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